6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

C19H25N5O2S — CID 131691807

IUPAC6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESCC(C)N(C)CC(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1
InChIInChI=1S/C19H25N5O2S/c1-13(2)23(3)12-17(25)24-10-6-15-16(7-11-24)27-19(22-15)18(26)21-14-4-8-20-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,21,26)
InChIKeyRUSZTWMAFCWDCT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.06
Rot. Bonds5

About 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (PubChem CID 131691807) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
PubChem CID131691807
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESCC(C)N(C)CC(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1
InChIInChI=1S/C19H25N5O2S/c1-13(2)23(3)12-17(25)24-10-6-15-16(7-11-24)27-19(22-15)18(26)21-14-4-8-20-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,21,26)
InChIKeyRUSZTWMAFCWDCT-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide with MolForge

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Related Compounds

6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155858216
6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155872133
N-(3-methoxyphenyl)-6-(3-methylsulfonylpropanoyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155874263
N-(2-methylpropyl)-6-(pyridine-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849745
N-(4-chlorophenyl)-6-(6-methylpyridine-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155872420
N-benzyl-6-(2-methoxyacetyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155876423
6-benzoyl-N-pyridin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862386
2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66864763
6-N-benzyl-2-N-(2-methylpropyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
CID 97442505
6-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97361501
6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
CID 97442575
2-[methyl(propan-2-yl)amino]-1-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 131691389

Frequently Asked Questions

What is the IUPAC name of 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The IUPAC name of 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (CID 131691807) is 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.
What is the SMILES notation for 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The canonical SMILES for 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is CC(C)N(C)CC(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1.
What is the InChIKey of 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The InChIKey is RUSZTWMAFCWDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13(2)23(3)12-17(25)24-10-6-15-16(7-11-24)27-19(22-15)18(26)21-14-4-8-20-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,21,26).
What are the key properties of 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is sourced from PubChem (CID 131691807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).